N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide

C19H25NO3 — CID 133267093

IUPACN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)N[C@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1
InChIInChI=1S/C19H25NO3/c21-14-7-3-4-12(10-14)11-16(22)20-18-15-8-9-23-19(15)17(18)13-5-1-2-6-13/h3-4,7,10,13,15,17-19,21H,1-2,5-6,8-9,11H2,(H,20,22)/t15-,17+,18+,19-/m1/s1
InChIKeyJFZNUXPEHHCAEG-XGXHKWSGSA-N
MW315.41 g/mol
LogP2.64
Rot. Bonds4

About N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide

N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 133267093) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide
PubChem CID133267093
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)N[C@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1
InChIInChI=1S/C19H25NO3/c21-14-7-3-4-12(10-14)11-16(22)20-18-15-8-9-23-19(15)17(18)13-5-1-2-6-13/h3-4,7,10,13,15,17-19,21H,1-2,5-6,8-9,11H2,(H,20,22)/t15-,17+,18+,19-/m1/s1
InChIKeyJFZNUXPEHHCAEG-XGXHKWSGSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide
CID 91776792
N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide
CID 133267354
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91797452
4-acetyl-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91790884
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide
CID 133265550
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide
CID 91762621
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide
CID 61399479
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
CID 91762510
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methoxyphenyl)acetamide
CID 91798171
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 156609400
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91794793
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(2-ethylimidazol-1-yl)propanamide
CID 91770237

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide (CID 133267093) is N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)N[C@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1.
What is the InChIKey of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is JFZNUXPEHHCAEG-XGXHKWSGSA-N. The full InChI is InChI=1S/C19H25NO3/c21-14-7-3-4-12(10-14)11-16(22)20-18-15-8-9-23-19(15)17(18)13-5-1-2-6-13/h3-4,7,10,13,15,17-19,21H,1-2,5-6,8-9,11H2,(H,20,22)/t15-,17+,18+,19-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide?
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 315.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 133267093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).